1-Chlorohexa-2,4-diene
TL;DR: 1-Chlorohexa-2,4-diene (CAS 17100-75-3) is a chemical compound with molecular formula C6H9Cl and molecular weight 116.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorohexa-2,4-diene
Also Known As: 1-chlorohexa-2,4-diene, sorbyl chloride, 2,4-Hexadiene, 1-chloro-, 1-Chloro-2,4-hexadiene, 2,4-Hexadiene,1-chloro-
| Molecular Formula | C6H9Cl |
|---|---|
| Molecular Weight | 116.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.039276 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 17100-75-3 |
|---|---|
| SMILES | CC=CC=CCCl |
| InChIKey | OGAKEJHVQRBQLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chlorohexa-2,4-diene (CAS 17100-75-3), with molecular formula C6H9Cl and molecular weight 116.04 g/mol. IUPAC: 1-chlorohexa-2,4-diene.
Chemical Property Profile of 1-Chlorohexa-2,4-diene
Property Insights of 1-Chlorohexa-2,4-diene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chlorohexa-2,4-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chlorohexa-2,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chlorohexa-2,4-diene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chlorohexa-2,4-diene?
The CAS number of 1-Chlorohexa-2,4-diene is 17100-75-3.
What is the molecular formula of 1-Chlorohexa-2,4-diene?
The molecular formula of 1-Chlorohexa-2,4-diene is C6H9Cl.
What is the molecular weight of 1-Chlorohexa-2,4-diene?
The molecular weight of 1-Chlorohexa-2,4-diene is 116.04 g/mol.
Where can I buy 1-Chlorohexa-2,4-diene?
You can request a quote for 1-Chlorohexa-2,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chlorohexa-2,4-diene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chlorohexa-2,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.